Academy of Finland  
Funding decision
Organisation Aalto University
Project title Formation of CO, CH4 and CH3OH by electrochemical reduction of CO2
Applicant / Contact person Caro, Miguel
Decision No. 329483
Decision date 18.12.2019
Funding period 01.01.2020 - 31.12.2023
Funding 565 859
Project description
Beyond-state-of-the-art simulation methods will be used to identify efficient electrocatalysts for the reduction of CO2 to CO, CH4 and CH3OH. The simulations will combine models of the dielectric based on machine learning techniques with quantum mechanical description of the electrode and the various elementary reaction steps. The simulations will be used to screen various possible electrocatalysts, including nano-particle alloys and carbon-based materials to obtain high Faradaic efficiency, as well as selectivity for the various products.